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[Bug 1348721] [NEW] abinit_write_header writes a wrong charge when NLCC is present

 

Public bug reported:

The abinit_write_header routine of abinit_util.c writes zero charges and
control sums when the pseudopotential has non-linear core correction
(NLCC). How hard would it be to provide relevant values?

** Affects: libpspio
     Importance: Undecided
         Status: New

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https://bugs.launchpad.net/bugs/1348721

Title:
  abinit_write_header writes a wrong charge when NLCC is present

Status in Libpspio pseudopotential I/O library:
  New

Bug description:
  The abinit_write_header routine of abinit_util.c writes zero charges
  and control sums when the pseudopotential has non-linear core
  correction (NLCC). How hard would it be to provide relevant values?

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